0 B10R1.17 NCCCC1=NC=CC=C1 BB0251676 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 BB0269449 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.8 BrCC[N+]1=CC=CC=C1 BB0266020 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.8 CCNC1=CC=CN=C1 BB0269511 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.8 NNCC1=CC=CC=C1 BB0219935 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.8 OCCC1=CC=CC=C1 BB0267987 [1,0,0,0,0,0|0,0,1]=2 6 B9R1.8 O\N=C\C1=CN=CC=C1 BB0290909 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.1 CC1=CC=C(NCCO)C=C1 BB0266948 [0,1,0,0,0,0|1,0,1]=3 8 B11R1.1 CC1=CC=C(SCCBr)C=C1 BB0263206 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.1 CCNCC1=CC=C(Cl)C=C1 BB0290024 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.1 NCCOC1=CC=C(F)C=C1 BB0220197 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.1 OCCNC1=CC=C(Cl)C=C1 BB0266928 [0,1,0,0,0,0|1,0,1]=3 12 B11R1.17 CC1=C(OCCN)C=CC=C1 BB0288800 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.17 CCNCC1=C(Cl)C=CC=C1 BB0289989 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.24 CC1=CC=CC(NCCO)=C1 BB0266927 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.24 NCCOC1=CC=CC(Cl)=C1 BB0219931 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.28 C=CCNCC1=CC=CC=C1 BB0265886 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.28 CCCNCC1=CC=CC=C1 BB0220577 [0,1,0,0,0,0|1,0,2]=4 18 B11R1.28 CCCNCC1=CC=CC=C1 BB0283704 [0,1,0,0,0,0|1,0,2]=4 19 B11R1.28 OCC\N=C\C1=CC=CC=C1 BB0258827 [0,1,0,0,0,0|0,0,1]=2 20 B11R1.40 CCC(=O)NC1=CC=CC=C1 BB0280635 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 BB0265962 [0,1,0,0,0,0|1,0,2]=4 22 B11R1.40 NCC(=O)NC1=CC=CC=C1 BB0254727 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.40 NNC(=O)CC1=CC=CC=C1 BB0274905 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 BB0262987 [0,1,0,0,0,0|0,0,2]=3 25 B11R1.40 O=C(CBr)NC1=CC=CC=C1 BB0257989 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BB0268017 [0,1,0,0,0,0|0,0,1]=2 27 B11R2.20 C1=CC2=C(C=C1)NCCN2 BB0237200 [0,0,0,1,0,0|2,0,1]=4 28 B11R2.20 C1=CC2=C(C=C1)OCCN2 BB0237409 [0,0,0,1,0,0|1,0,1]=3 29 B8R1.2 C=CC1=CC=CN=C1 BB0267984 [2,0,0,0,0,0|1,0,0]=3 30 B8R1.2 CCC1=CC=CN=C1 BB0263315 [2,0,0,0,0,0|1,0,1]=4 31 B8R1.2 COC1=CC=CC=C1 BB0266015 [2,0,0,0,0,0|1,0,0]=3 32 B8R1.2 NCC1=CC=CN=C1 BB0216501 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.2 OCC1=CN=CN=C1 BB0268386 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.2 OCC1=NC=CC=C1 BB0265957 [2,0,0,0,0,0|1,0,0]=3 35 B10R1.1 OCCC1=CC=C(F)C=C1 BB0267975 [1,1,0,0,0,0|0,0,1]=3 36 B10R1.1 O\N=C\C1=CC=C(O)C=C1 BB0256552 [1,1,0,0,0,0|1,0,0]=3 37 B10R1.4 O\N=C\C1=C(Cl)C=CC=C1 BB0290874 [1,1,0,0,0,0|1,0,0]=3 38 B10R1.4 O\N=C\C1=C(O)C=CC=C1 BB0290839 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.10 CCNC1=CC(C)=CC=C1 BB0287324 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.10 CCOC1=CC(N)=CC=C1 BB0268130 [1,1,0,0,0,0|1,0,1]=4 41 B10R1.10 CNCC1=CC=CC(F)=C1 BB0270505 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.10 NCCC1=CC=CC(F)=C1 BB0263137 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.10 O\N=C\C1=CC(O)=CC=C1 BB0291837 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.15 C#CC(=O)C1=CC=CC=C1 BB0270313 [1,1,0,0,0,0|0,0,2]=4 45 B10R1.15 CC[C@H](N)C1=CC=CC=C1 BB0293055 [1,1,0,0,0,0|0,0,2]=4 46 B10R1.15 CN(C=O)C1=CC=CC=C1 BB0258777 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.15 C\C(=N/O)C1=CC=CC=C1 BB0268020 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.15 N\C(=N/O)C1=CC=NC=C1 BB0269874 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.15 N\C(=N/O)C1=CN=CC=C1 BB0269872 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.15 N\C(=N/O)C1=NC=CC=C1 BB0269871 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.18 CC(=O)CC1=NC=CC=C1 BB0255238 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.18 CC(C)NC1=CC=CC=C1 BB0268013 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.18 N=C(N)CC1=CC=CC=C1 BB0240259 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.18 O=C(O)CC1=CN=CC=C1 BB0259224 [1,1,0,0,0,0|1,0,1]=4 55 B10R1.66 O=C(O)\C=C\C1=CC=CO1 BB0238505 [0,1,0,0,1,0|1,0,1]=4 56 B10R1.66 O=C(O)\C=C\C1=CC=CS1 BB0280516 [0,1,0,0,1,0|1,0,1]=4 57 B12R1.1 OCCNCC1=CC=C(F)C=C1 BB0291749 [0,2,0,0,0,0|0,0,2]=4 58 B12R1.16 CCNC(=O)C1=CC=C(Cl)C=C1 BB0290027 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 BB0258778 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 BB0280161 [0,2,0,0,0,0|0,0,1]=3 61 B12R1.21 CC1=CC=C(\C=C\[N+](=O)[O-])C=C1 BB0269531 [0,2,0,0,0,0|1,0,1]=4 62 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 BB0290904 [0,2,0,0,0,0|0,0,1]=3 63 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 BB0267153 [0,2,0,0,0,0|0,0,1]=3 64 B12R1.49 CC1=CC=C(NC(=O)CBr)C=C1 BB0289160 [0,2,0,0,0,0|2,0,0]=4 65 B12R1.49 CCC(=O)NC1=CC=C(N)C=C1 BB0245337 [0,2,0,0,0,0|2,0,0]=4 66 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 BB0288731 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.49 O=C(CBr)NC1=CC=C(F)C=C1 BB0289298 [0,2,0,0,0,0|2,0,0]=4 68 B12R1.49 O=C(CCl)NC1=CC=C(Cl)C=C1 BB0217605 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.69 CC1=C(NCCO)C=CC(Cl)=C1 BB0266949 [0,2,0,0,0,0|1,0,1]=4 70 B12R1.17 CCNC(=O)C1=CC(N)=CC=C1 BB0254504 [0,2,0,0,0,0|2,0,0]=4 71 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 BB0245099 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 BB0289614 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.30 CCCNC(=O)C1=CC=CC=C1 BB0258787 [0,2,0,0,0,0|1,0,1]=4 74 B12R1.34 CN(C(=O)CBr)C1=CC=CC=C1 BB0258565 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.308 CCNC(=O)C1=C(Cl)C=CC=C1 BB0289927 [0,2,0,0,0,0|2,0,0]=4 76 B12R1.308 CCNC(=O)C1=C(N)C=CC=C1 BB0293229 [0,2,0,0,0,0|2,0,0]=4 77 B12R1.125 CC(=O)\C=C\C1=C(O)C=CC=C1 BB0269827 [0,2,0,0,0,0|0,0,2]=4 78 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 BB0281883 [0,2,0,0,0,0|0,0,1]=3 79 B12R1.371 CCC(=O)NC1=C(O)C=CC=C1 BB0287086 [0,2,0,0,0,0|2,0,0]=4 80 B12R1.371 O=C(CBr)NC1=C(F)C=CC=C1 BB0289302 [0,2,0,0,0,0|2,0,0]=4 81 B12R1.50 CC1=CC=CC(NC(=O)CBr)=C1 BB0289136 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.50 CCC(=O)NC1=CC(N)=CC=C1 BB0245334 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.50 CCC(=O)NC1=CC(O)=CC=C1 BB0288537 [0,2,0,0,0,0|2,0,0]=4 84 B12R1.50 O=C(CBr)NC1=CC(Cl)=CC=C1 BB0289616 [0,2,0,0,0,0|2,0,0]=4 85 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 BB0266952 [0,2,0,0,0,0|0,0,1]=3 86 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 BB0254086 [0,2,0,0,0,0|0,0,1]=3 87 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 BB0289137 [0,2,0,0,0,0|1,0,1]=4 88 B12R1.252 C[C@H](O)C\N=C\C1=CC=CC=C1 BB0220377 [0,2,0,0,0,0|0,0,1]=3 89 B12R1.252 O=C(O)CCOC1=CC=CC=C1 BB0267976 [0,2,0,0,0,0|1,0,1]=4 90 B12R1.252 O=C(O)CCSC1=CC=CC=C1 BB0269879 [0,2,0,0,0,0|1,0,1]=4 91 B10R2.7 C1=CC2=C(C=C1)NN=C2 BB0219702 [1,0,0,1,0,0|2,0,0]=4 92 B12R2.24 BrC1=CC2=CC=NC=C2C=C1 BB0268383 [0,1,0,1,0,0|2,0,0]=4 93 B12R2.24 BrC1=CC2=CN=CC=C2C=C1 BB0261827 [0,1,0,1,0,0|2,0,0]=4 94 B12R2.24 IC1=CC2=CC=CC=C2C=C1 BB0220370 [0,1,0,1,0,0|1,0,1]=4 95 B12R2.24 NC1=CC2=C(C=C1)OCCO2 BB0221252 [0,1,0,1,0,0|1,0,1]=4 96 B12R2.24 NC1=CC2=CC=CC=C2C=C1 BB0266016 [0,1,0,1,0,0|1,0,1]=4 97 B12R2.24 NC1=CC2=CC=CC=C2N=C1 BB0237444 [0,1,0,1,0,0|1,0,1]=4 98 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 BB0219703 [0,1,0,1,0,0|2,0,0]=4 99 B12R2.24 OC1=CC2=C(C=C1)OCCO2 BB0220549 [0,1,0,1,0,0|1,0,1]=4 100 B12R2.24 OC1=CC2=NC=CC=C2C=C1 BB0270513 [0,1,0,1,0,0|1,0,1]=4 101 B12R2.2 C1=CC=C(C2=CC=CN2)C=C1 BB0268022 [0,1,0,1,0,0|1,0,1]=4 102 B12R2.2 C1=CC=C(C2=CN=CN2)C=C1 BB0258796 [0,1,0,1,0,0|1,0,1]=4 103 B12R2.1081 BrC1=CC=CC2=CC=NC=C12 BB0268343 [0,1,0,1,0,0|2,0,0]=4 104 B12R2.1081 BrC1=CC=CC2=CN=CC=C12 BB0266482 [0,1,0,1,0,0|2,0,0]=4 105 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 BB0221199 [0,1,0,1,0,0|1,0,1]=4 106 B12R2.1081 NC1=C2N=CC=CC2=CC=C1 BB0221197 [0,1,0,1,0,0|1,0,1]=4 107 B12R2.1081 NC1=CC=NC2=CC=CC=C12 BB0270511 [0,1,0,1,0,0|1,0,1]=4 108 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 BB0256889 [0,1,0,1,0,0|0,0,2]=4 109 B12R2.1081 S=C1C=CNC2=C1C=CC=C2 BB0241258 [0,1,0,1,0,0|0,1,1]=4 110 B12R2.1081 SC1=NC=CC2=CC=CC=C21 BB0218925 [0,1,0,1,0,0|0,1,1]=4 111 B12R2.2028 N[C@H]1CC(=O)C2=C1C=CC=C2 BB0216357 [0,1,0,1,0,0|1,0,1]=4 112 B12R2.32 ClCC1=CN2C=CC=CC2=N1 BB0255056 [0,1,0,1,0,0|2,0,0]=4 113 B12R2.32 ClCC1=NC2=C(C=CC=C2)O1 BB0269988 [0,1,0,1,0,0|2,0,0]=4 114 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 BB0219997 [0,1,0,1,0,0|1,0,0]=3 115 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 BB0270364 [0,1,0,1,0,0|1,0,0]=3 116 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 BB0219571 [0,1,0,1,0,0|2,0,0]=4 117 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 BB0219951 [0,1,0,1,0,0|0,0,2]=4 118 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 BB0265965 [0,1,0,1,0,0|0,0,0]=2 119 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 BB0219466 [0,1,0,1,0,0|1,0,0]=3 120 B12R2.1 N#CC1=CNC2=C1C=CC=C2 BB0242412 [0,1,0,1,0,0|1,0,1]=4 121 B12R2.1 OCC1=C2C=CC=CN2N=C1 BB0270552 [0,1,0,1,0,0|1,0,0]=3 122 B12R2.18 N[C@@H]1C(=O)NC2=C1C=CC=C2 BB0270666 [0,1,0,1,0,0|2,0,0]=4 123 B8R1.8 O\N=C\C1=CC=CS1 BB0286786 [1,0,0,0,1,0|2,0,0]=4